CID 9574785

Nsc687321

Structural Information

Molecular Formula
C25H21ClN2O
SMILES
CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2/C(=N/O)/C1)C5=CC=C(C=C5)Cl)C
InChI
InChI=1S/C25H21ClN2O/c1-25(2)13-20-24(21(14-25)28-29)22(16-7-10-17(26)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)27-20/h3-12,29H,13-14H2,1-2H3/b28-21+
InChIKey
DJZIQNCBCYLQKY-SGWCAAJKSA-N
Compound name
(NE)-N-[12-(4-chlorophenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13425 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14153 197.3
[M+Na]+ 423.12347 208.5
[M-H]- 399.12697 205.2
[M+NH4]+ 418.16807 212.6
[M+K]+ 439.09741 199.4
[M+H-H2O]+ 383.13151 186.1
[M+HCOO]- 445.13245 210.5
[M+CH3COO]- 459.14810 207.1
[M+Na-2H]- 421.10892 203.5
[M]+ 400.13370 199.9
[M]- 400.13480 199.9
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.