CID 9576658

1658 cb

Structural Information

Molecular Formula
C22H29N3OS
SMILES
CCCC/C(=N\O)/C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C22H29N3OS/c1-4-5-9-18(23-26)17-12-13-22-20(16-17)25(15-8-14-24(2)3)19-10-6-7-11-21(19)27-22/h6-7,10-13,16,26H,4-5,8-9,14-15H2,1-3H3/b23-18+
InChIKey
IFHNAYVRFFQTER-PTGBLXJZSA-N
Compound name
(NE)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]pentylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20312 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21040 192.0
[M+Na]+ 406.19234 203.4
[M+NH4]+ 401.23694 200.3
[M+K]+ 422.16628 192.9
[M-H]- 382.19584 196.4
[M+Na-2H]- 404.17779 196.9
[M]+ 383.20257 195.3
[M]- 383.20367 195.3
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.