CID 504230

5h-benzo[a]phenoxazine,9-dipropylamino-5-p-tolylimino-

Structural Information

Molecular Formula
C29H29N3O
SMILES
CCCN(CCC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC5=CC=C(C=C5)C)C=C3O2
InChI
InChI=1S/C29H29N3O/c1-4-16-32(17-5-2)22-14-15-25-27(18-22)33-28-19-26(30-21-12-10-20(3)11-13-21)23-8-6-7-9-24(23)29(28)31-25/h6-15,18-19H,4-5,16-17H2,1-3H3
InChIKey
QHZKMYOQYZKSIF-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)imino-N,N-dipropylbenzo[a]phenoxazin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.23105 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23833 212.5
[M+Na]+ 458.22027 220.6
[M-H]- 434.22377 223.0
[M+NH4]+ 453.26487 222.6
[M+K]+ 474.19421 214.6
[M+H-H2O]+ 418.22831 199.1
[M+HCOO]- 480.22925 233.3
[M+CH3COO]- 494.24490 221.5
[M+Na-2H]- 456.20572 219.2
[M]+ 435.23050 218.4
[M]- 435.23160 218.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.