CID 127140
Bzbana
Structural Information
- Molecular Formula
- C30H39N9O4
- SMILES
- C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2
- InChI
- InChI=1S/C30H39N9O4/c31-28(32)35-16-6-12-24(26(40)37-23-15-14-21-10-4-5-11-22(21)18-23)38-27(41)25(13-7-17-36-29(33)34)39-30(42)43-19-20-8-2-1-3-9-20/h1-5,8-11,14-15,18,24-25H,6-7,12-13,16-17,19H2,(H,37,40)(H,38,41)(H,39,42)(H4,31,32,35)(H4,33,34,36)/t24-,25-/m0/s1
- InChIKey
- QOCSAYREMKOPJF-DQEYMECFSA-N
- Compound name
- benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 590.31978 | 232.0 |
[M+Na]+ | 612.30172 | 226.1 |
[M-H]- | 588.30522 | 237.4 |
[M+NH4]+ | 607.34632 | 232.2 |
[M+K]+ | 628.27566 | 227.3 |
[M+H-H2O]+ | 572.30976 | 219.6 |
[M+HCOO]- | 634.31070 | 254.5 |
[M+CH3COO]- | 648.32635 | 284.6 |
[M+Na-2H]- | 610.28717 | 276.8 |
[M]+ | 589.31195 | 227.1 |
[M]- | 589.31305 | 227.1 |